| SpectraBase Spectrum ID |
E9WhI16EM5e |
| Name |
Fumaric acid, dodecyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-5-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-20(6-2)19(3)4/h16-17,19-20H,5-15,18H2,1-4H3/b17-16+ |
| InChIKey |
ODLHMBHZSWNQLE-WUKNDPDISA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(OC(CC)C(C)C)(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953617 |
